%chk=000179176.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000179176

0 1
O 0.062643 0.449545 -2.190640
O 3.493638 0.625467 1.424238
O -1.855438 1.647984 -1.782030
N -1.644332 -0.614369 -1.194278
N 1.816500 1.114127 -4.911590
C -3.046881 -0.820627 -0.727583
C -3.840096 -1.693312 -1.722861
C -2.981147 -1.454440 0.651666
C -4.178419 -0.936614 -3.001296
C -3.330301 -0.687183 1.772506
C -2.571778 -2.784703 0.822422
C -1.253665 0.596489 -1.719794
C 0.736209 1.682033 -2.591624
C -3.281404 -1.250617 3.050727
C -2.522534 -3.344055 2.102465
C 1.776484 2.025974 -1.543832
C -2.879044 -2.579511 3.217928
C 2.110701 1.092649 -0.558349
C 2.377418 3.290750 -1.569487
C 3.038973 1.469353 0.417587
C 3.323080 3.629828 -0.592559
C 3.660244 2.729917 0.417210
C 1.344122 1.362284 -3.888913
C 2.687359 -0.436181 1.856005
C 1.305500 -0.320518 2.039689
C 3.403367 -1.594593 2.188210
C 0.620135 -1.418858 2.565985
C 2.694350 -2.671549 2.723032
C 1.308160 -2.588878 2.905734
H -3.540299 0.193083 -0.663520
H -4.773611 -2.034629 -1.228410
H -3.279839 -2.616512 -1.968405
H -1.023478 -1.420048 -1.242322
H -4.767968 -0.033032 -2.800345
H -4.762415 -1.560600 -3.688388
H -3.276574 -0.617457 -3.538985
H -3.640283 0.351075 1.651670
H -2.295053 -3.389699 -0.039331
H -0.031708 2.503459 -2.696853
H -3.558519 -0.651976 3.917918
H -2.207950 -4.379048 2.229765
H -2.845321 -3.018031 4.214050
H 1.660632 0.098405 -0.566370
H 2.119090 4.011956 -2.342314
H 3.795669 4.612890 -0.618589
H 4.385037 2.977774 1.190302
H 0.780709 0.599442 1.791503
H 4.479150 -1.634671 2.032604
H -0.460982 -1.359649 2.711299
H 3.225605 -3.583670 2.994807
H 0.764362 -3.436655 3.316245


%chk=000179176-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000179176

0 1
O 0.093166 0.225539 -2.381254
O 3.416749 0.677517 1.616083
O -1.758223 1.627923 -1.910880
N -1.799222 -0.698947 -1.533663
N 2.646701 0.809742 -4.550135
C -3.167875 -0.791513 -0.963895
C -4.046641 -1.744227 -1.810252
C -3.077388 -1.146619 0.530387
C -4.257455 -1.235558 -3.250514
C -2.637002 -0.146919 1.438656
C -3.382854 -2.435229 1.033766
C -1.235793 0.484407 -1.923783
C 0.885079 1.456597 -2.651873
C -2.500230 -0.428579 2.814450
C -3.245495 -2.721356 2.412851
C 1.562524 1.966662 -1.379391
C -2.802609 -1.721263 3.307113
C 2.151697 1.044422 -0.484840
C 1.599842 3.353790 -1.109551
C 2.763783 1.525903 0.692354
C 2.248826 3.820087 0.056659
C 2.830532 2.911320 0.964931
C 1.853368 1.080370 -3.702315
C 2.917451 -0.626925 1.886600
C 1.534383 -0.914578 1.959475
C 3.885761 -1.608740 2.187102
C 1.124343 -2.215598 2.328117
C 3.460775 -2.903554 2.557980
C 2.081757 -3.213776 2.626151
H -3.579467 0.231353 -1.054757
H -5.024237 -1.852486 -1.302153
H -3.590082 -2.754624 -1.837711
H -1.210468 -1.534679 -1.547994
H -4.766840 -0.254289 -3.255679
H -4.875959 -1.942606 -3.831755
H -3.293350 -1.115836 -3.776375
H -2.406651 0.856798 1.059432
H -3.736516 -3.221804 0.358745
H 0.199617 2.234399 -3.042379
H -2.165556 0.355751 3.502432
H -3.489383 -3.721816 2.787824
H -2.700087 -1.941658 4.375414
H 2.122691 -0.027734 -0.701382
H 1.122282 4.061372 -1.796093
H 2.286870 4.893805 0.267621
H 3.326796 3.249045 1.879378
H 0.789466 -0.141262 1.746611
H 4.946083 -1.345771 2.128567
H 0.053091 -2.437030 2.392810
H 4.208668 -3.669447 2.790865
H 1.757182 -4.219579 2.913150


